4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine

C21H24FN5O — CID 91800676

IUPAC4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCOCC2)n1
InChIInChI=1S/C21H24FN5O/c1-14(2)25-21-23-10-7-18(26-21)20-19(15-3-5-16(22)6-4-15)24-13-27(20)17-8-11-28-12-9-17/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3,(H,23,25,26)
InChIKeyOAMQEFJZSQDWIU-UHFFFAOYSA-N
MW381.46 g/mol
LogP4.32
Rot. Bonds5

About 4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine

4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine (PubChem CID 91800676) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
PubChem CID91800676
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine
SMILESCC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCOCC2)n1
InChIInChI=1S/C21H24FN5O/c1-14(2)25-21-23-10-7-18(26-21)20-19(15-3-5-16(22)6-4-15)24-13-27(20)17-8-11-28-12-9-17/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3,(H,23,25,26)
InChIKeyOAMQEFJZSQDWIU-UHFFFAOYSA-N
XLogP4.32
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine (CID 91800676) is 4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine is CC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCOCC2)n1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is OAMQEFJZSQDWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-14(2)25-21-23-10-7-18(26-21)20-19(15-3-5-16(22)6-4-15)24-13-27(20)17-8-11-28-12-9-17/h3-7,10,13-14,17H,8-9,11-12H2,1-2H3,(H,23,25,26).
What are the key properties of 4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine?
4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 381.46 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-(oxan-4-yl)imidazol-4-yl]-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 91800676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).